Binding free energy hydrogen bonds

In case of the rigid lock-and-key type receptor forming five hydrogen bonds plus two extended electrostatic attractions (Fig. 3a), one mismatched hydrogen bond will result in only a small reduction in overall binding free energy 4.18-8.36 kJ mol (1-2 kcal mol ) out of... 

ThephenolicOH group in the A-ring contributes 1.9 kcal mol-1 to the binding free energy, and probably acts primarily as a hydrogen bond donor. 

Figure 3 Overview of the receptor-ligand binding process. All species involved are solvated by water (symbolized by gray spheres). The binding free energy difference between the bound and unbound state is a sum of enthalpic components (breaking and formation of hydrogen bonds, formation of specific hydrophobic contacts), and entropic components (release of water from hydrophobic surfaces to solvent, loss of conformational mobility of receptor and ligand).

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